1-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-4-fluoropiperidine

C19H26FN3 — CID 141366794

IUPAC1-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-4-fluoropiperidine
SMILESCC(C)(C)c1ccn(-c2cccc(CN3CCC(F)CC3)c2)n1
InChIInChI=1S/C19H26FN3/c1-19(2,3)18-9-12-23(21-18)17-6-4-5-15(13-17)14-22-10-7-16(20)8-11-22/h4-6,9,12-13,16H,7-8,10-11,14H2,1-3H3
InChIKeyZYFUEZVGUNCMME-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.10
Rot. Bonds3

About 1-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-4-fluoropiperidine

1-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-4-fluoropiperidine (PubChem CID 141366794) has the molecular formula C19H26FN3 and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-4-fluoropiperidine.

Molecular Properties

Compound Name1-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-4-fluoropiperidine
PubChem CID141366794
Molecular FormulaC19H26FN3
Molecular Weight315.44 g/mol
Exact Mass315.21
IUPAC Name1-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-4-fluoropiperidine
SMILESCC(C)(C)c1ccn(-c2cccc(CN3CCC(F)CC3)c2)n1
InChIInChI=1S/C19H26FN3/c1-19(2,3)18-9-12-23(21-18)17-6-4-5-15(13-17)14-22-10-7-16(20)8-11-22/h4-6,9,12-13,16H,7-8,10-11,14H2,1-3H3
InChIKeyZYFUEZVGUNCMME-UHFFFAOYSA-N
XLogP4.10
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-N,N-dimethylazetidin-3-amine
CID 141422239
2-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methoxy]ethanol
CID 141366787
4-tert-butyl-1-[(3-tert-butylphenyl)methyl]piperidine
CID 153484507
1-[2-[4-(3-tert-butylpyrazol-1-yl)pyrazol-1-yl]ethyl]piperidin-4-ol
CID 141421979
4-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyridine
CID 56913035
2-[3-(3-tert-butylpyrazol-1-yl)phenyl]sulfanylethanol
CID 141366811
3-tert-butyl-1-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-5-carboxamide
CID 69292631
1-[(3-fluorophenyl)methyl]-4-[(3-pyrazol-1-ylphenyl)methyl]piperazine
CID 56897722
methyl (2S)-2-hydroxy-2-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]acetate
CID 97151791
1-(3-phenylphenyl)-3-[2-[1-(3-phenylphenyl)pyrazol-3-yl]propan-2-yl]pyrazole
CID 59816887
1-[2-[4-(3-tert-butylpyrazol-1-yl)phenyl]ethyl]-4-methylpiperazine
CID 141134716
[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone
CID 124694662

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-4-fluoropiperidine?
The IUPAC name of 1-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-4-fluoropiperidine (CID 141366794) is 1-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-4-fluoropiperidine.
What is the SMILES notation for 1-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-4-fluoropiperidine?
The canonical SMILES for 1-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-4-fluoropiperidine is CC(C)(C)c1ccn(-c2cccc(CN3CCC(F)CC3)c2)n1.
What is the InChIKey of 1-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-4-fluoropiperidine?
The InChIKey is ZYFUEZVGUNCMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3/c1-19(2,3)18-9-12-23(21-18)17-6-4-5-15(13-17)14-22-10-7-16(20)8-11-22/h4-6,9,12-13,16H,7-8,10-11,14H2,1-3H3.
What are the key properties of 1-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-4-fluoropiperidine?
1-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-4-fluoropiperidine has a molecular weight of 315.44 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-4-fluoropiperidine is sourced from PubChem (CID 141366794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).